6513-12-8 ((D-Glucose, O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-)

CAS号:
6513-12-8
英文名称:
D-Glucose, O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-
分子式:
C42H72O36
分子量:
1152.99949836731

D-Glucose, O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-(6513-12-8)名称与标识符

名称

中文别名:
异麦芽七糖;
英文别名:
LogP;isomaltoheptaose;6)-O-a-D-glucopyranosyl-(1®DTXSID10215446;(2R,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4,5,6-tetrakis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexanal;6513-12-8;DTXCID10137937;D-Glucose, O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-6)-;

标识符

InChIKey:
YGMBQDCBGPAZNW-YIBJATESSA-N
Inchi:
1S/C42H72O36/c43-1-9-17(50)23(56)29(62)37(68-9)67-8-16(75-38-30(63)24(57)18(51)10(2-44)69-38)35(77-40-32(65)26(59)20(53)12(4-46)71-40)34(76-39-31(64)25(58)19(52)11(3-45)70-39)15(7-49)74-42-36(28(61)22(55)14(6-48)73-42)78-41-33(66)27(60)21(54)13(5-47)72-41/h7,9-48,50-66H,1-6,8H2/t9-,10-,11-,12-,13-,14-,15+,16-,17-,18-,19-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29-,30-,31-,32-,33-,34-,35-,36-,37+,38-,39-,40-,41-,42-/m1/s1
SMILES:
O([C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)[C@H]([C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)[C@@H]([C@H](C=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O

D-Glucose, O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-(6513-12-8)物化性质

实验特性

  • LogP : -16.43360
  • PSA : 593.12000
  • 折射率 : 1.7
  • 沸点 : 1502.8°C at 760 mmHg
  • 闪点 : 427°C
  • 密度 : 1.85

计算特性

  • 精确分子量 : 1152.38
  • 氢键供体数量 : 23
  • 氢键受体数量 : 36
  • 可旋转化学键数量 : 23
  • 同位素质量 : 1152.38
  • 重原子数量 : 78
  • 复杂度 : 1800
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 34
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -13
  • 拓扑分子极性表面积 : 593A^2

D-Glucose, O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-O-a-D-glucopyranosyl-(1®6)-(6513-12-8)推荐厂家 更多厂家(11)